2-[(1-oxidanidylpyridin-1-ium-4-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-4-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[(1-oxido-4-pyridin-1-iumyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]nicotinamide Formula: C22H21F3N4O2 MolecularWeight: 430.42295

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=[N+](C=C3)[O-])C(F)(F)F

Isomeric SMILES

CCCC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=[N+](C=C3)[O-])C(F)(F)F

InChI

InChI=1S/C22H21F3N4O2/c1-2-4-16-6-7-17(13-19(16)22(23,24)25)28-21(30)18-5-3-10-26-20(18)27-14-15-8-11-29(31)12-9-15/h3,5-13H,2,4,14H2,1H3,(H,26,27)(H,28,30)